N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C25H33FN4O3 — CID 146643349

IUPACN-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(N3CCC(N(CCO)CCO)CC3)c1)C2
InChIInChI=1S/C25H33FN4O3/c1-17-5-6-22(26)21-16-23(28-24(17)21)25(33)27-18-3-2-4-20(15-18)29-9-7-19(8-10-29)30(11-13-31)12-14-32/h2-6,15,19,23,28,31-32H,7-14,16H2,1H3,(H,27,33)
InChIKeyVNUNZDIKDFNXSB-UHFFFAOYSA-N
MW456.56 g/mol
LogP2.36
Rot. Bonds8

About N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146643349) has the molecular formula C25H33FN4O3 and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146643349
Molecular FormulaC25H33FN4O3
Molecular Weight456.56 g/mol
Exact Mass456.25
IUPAC NameN-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(F)c2c1NC(C(=O)Nc1cccc(N3CCC(N(CCO)CCO)CC3)c1)C2
InChIInChI=1S/C25H33FN4O3/c1-17-5-6-22(26)21-16-23(28-24(17)21)25(33)27-18-3-2-4-20(15-18)29-9-7-19(8-10-29)30(11-13-31)12-14-32/h2-6,15,19,23,28,31-32H,7-14,16H2,1H3,(H,27,33)
InChIKeyVNUNZDIKDFNXSB-UHFFFAOYSA-N
XLogP2.36
TPSA88.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394733
N-[3-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394716
4-fluoro-7-methyl-N-[3-[4-(oxan-4-yl)piperazin-1-yl]phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395048
N-[3-[(3S,5S)-4-acetyl-3,5-dimethylpiperazin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395557
N-[3-(6-acetyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394742
N-[3-[1-(2,2-difluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394826
N-[3-(2-cyclopropylmorpholin-4-yl)phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394809
4-fluoro-7-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644349
4-fluoro-N-[3-[2-(methoxymethyl)morpholin-4-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394933
4-fluoro-7-methyl-N-[3-(1,2,4-triazolidin-1-yl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395475
N-[3-(difluoromethyl)-5-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394887
4-fluoro-N-[3-[7-(2-methoxyethyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146643730

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146643349) is N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)Nc1cccc(N3CCC(N(CCO)CCO)CC3)c1)C2.
What is the InChIKey of N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VNUNZDIKDFNXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O3/c1-17-5-6-22(26)21-16-23(28-24(17)21)25(33)27-18-3-2-4-20(15-18)29-9-7-19(8-10-29)30(11-13-31)12-14-32/h2-6,15,19,23,28,31-32H,7-14,16H2,1H3,(H,27,33).
What are the key properties of N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 456.56 g/mol, XLogP of 2.36, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[bis(2-hydroxyethyl)amino]piperidin-1-yl]phenyl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146643349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).