1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine

C64H101F3N18O3S — CID 158861914

IUPAC1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine
SMILESCN1CCC(N(C)S(=O)(=O)C2CCN(c3c(N)cncc3F)CC2)CC1.CN1CCN(CC2CCN(c3c(N)cncc3F)CC2)CC1.Cc1cncc(N)c1N1CCC(N2CCCC2=O)CC1.Nc1cncc(F)c1N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C17H28FN5O2S.C16H26FN5.C16H25FN4.C15H22N4O/c1-21-7-3-13(4-8-21)22(2)26(24,25)14-5-9-23(10-6-14)17-15(18)11-20-12-16(17)19;1-20-6-8-21(9-7-20)12-13-2-4-22(5-3-13)16-14(17)10-19-11-15(16)18;17-14-10-19-11-15(18)16(14)21-8-4-13(5-9-21)12-20-6-2-1-3-7-20;1-11-9-17-10-13(16)15(11)18-7-4-12(5-8-18)19-6-2-3-14(19)20/h11-14H,3-10,19H2,1-2H3;10-11,13H,2-9,12,18H2,1H3;10-11,13H,1-9,12,18H2;9-10,12H,2-8,16H2,1H3
InChIKeyJATMERIBGQWYNR-UHFFFAOYSA-N
MW1259.70 g/mol
LogP6.46
Rot. Bonds12

About 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine

1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine (PubChem CID 158861914) has the molecular formula C64H101F3N18O3S and a molecular weight of 1259.70 g/mol. Its IUPAC name is 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine
PubChem CID158861914
Molecular FormulaC64H101F3N18O3S
Molecular Weight1259.70 g/mol
Exact Mass1258.80
IUPAC Name1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine
SMILESCN1CCC(N(C)S(=O)(=O)C2CCN(c3c(N)cncc3F)CC2)CC1.CN1CCN(CC2CCN(c3c(N)cncc3F)CC2)CC1.Cc1cncc(N)c1N1CCC(N2CCCC2=O)CC1.Nc1cncc(F)c1N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C17H28FN5O2S.C16H26FN5.C16H25FN4.C15H22N4O/c1-21-7-3-13(4-8-21)22(2)26(24,25)14-5-9-23(10-6-14)17-15(18)11-20-12-16(17)19;1-20-6-8-21(9-7-20)12-13-2-4-22(5-3-13)16-14(17)10-19-11-15(16)18;17-14-10-19-11-15(18)16(14)21-8-4-13(5-9-21)12-20-6-2-1-3-7-20;1-11-9-17-10-13(16)15(11)18-7-4-12(5-8-18)19-6-2-3-14(19)20/h11-14H,3-10,19H2,1-2H3;10-11,13H,2-9,12,18H2,1H3;10-11,13H,1-9,12,18H2;9-10,12H,2-8,16H2,1H3
InChIKeyJATMERIBGQWYNR-UHFFFAOYSA-N
XLogP6.46
TPSA239.25 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.70
LogP ≤ 56.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine?
The IUPAC name of 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine (CID 158861914) is 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine?
The canonical SMILES for 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine is CN1CCC(N(C)S(=O)(=O)C2CCN(c3c(N)cncc3F)CC2)CC1.CN1CCN(CC2CCN(c3c(N)cncc3F)CC2)CC1.Cc1cncc(N)c1N1CCC(N2CCCC2=O)CC1.Nc1cncc(F)c1N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine?
The InChIKey is JATMERIBGQWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN5O2S.C16H26FN5.C16H25FN4.C15H22N4O/c1-21-7-3-13(4-8-21)22(2)26(24,25)14-5-9-23(10-6-14)17-15(18)11-20-12-16(17)19;1-20-6-8-21(9-7-20)12-13-2-4-22(5-3-13)16-14(17)10-19-11-15(16)18;17-14-10-19-11-15(18)16(14)21-8-4-13(5-9-21)12-20-6-2-1-3-7-20;1-11-9-17-10-13(16)15(11)18-7-4-12(5-8-18)19-6-2-3-14(19)20/h11-14H,3-10,19H2,1-2H3;10-11,13H,2-9,12,18H2,1H3;10-11,13H,1-9,12,18H2;9-10,12H,2-8,16H2,1H3.
What are the key properties of 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine?
1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine has a molecular weight of 1259.70 g/mol, XLogP of 6.46, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 158861914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).