2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine

C22H25N9 — CID 90390043

IUPAC2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine
SMILESCN1CCC(n2cc(Nc3ncc(N)c(Nc4ccc5ncccc5c4)n3)cn2)CC1
InChIInChI=1S/C22H25N9/c1-30-9-6-18(7-10-30)31-14-17(12-26-31)28-22-25-13-19(23)21(29-22)27-16-4-5-20-15(11-16)3-2-8-24-20/h2-5,8,11-14,18H,6-7,9-10,23H2,1H3,(H2,25,27,28,29)
InChIKeyITJJCUYVYJDIAR-UHFFFAOYSA-N
MW415.51 g/mol
LogP3.56
Rot. Bonds5

About 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine

2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine (PubChem CID 90390043) has the molecular formula C22H25N9 and a molecular weight of 415.51 g/mol. Its IUPAC name is 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine
PubChem CID90390043
Molecular FormulaC22H25N9
Molecular Weight415.51 g/mol
Exact Mass415.22
IUPAC Name2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine
SMILESCN1CCC(n2cc(Nc3ncc(N)c(Nc4ccc5ncccc5c4)n3)cn2)CC1
InChIInChI=1S/C22H25N9/c1-30-9-6-18(7-10-30)31-14-17(12-26-31)28-22-25-13-19(23)21(29-22)27-16-4-5-20-15(11-16)3-2-8-24-20/h2-5,8,11-14,18H,6-7,9-10,23H2,1H3,(H2,25,27,28,29)
InChIKeyITJJCUYVYJDIAR-UHFFFAOYSA-N
XLogP3.56
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine with MolForge

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Related Compounds

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CID 60182388
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6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
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6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
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CID 25195294
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5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine?
The IUPAC name of 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine (CID 90390043) is 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine.
What is the SMILES notation for 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine?
The canonical SMILES for 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine is CN1CCC(n2cc(Nc3ncc(N)c(Nc4ccc5ncccc5c4)n3)cn2)CC1.
What is the InChIKey of 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine?
The InChIKey is ITJJCUYVYJDIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9/c1-30-9-6-18(7-10-30)31-14-17(12-26-31)28-22-25-13-19(23)21(29-22)27-16-4-5-20-15(11-16)3-2-8-24-20/h2-5,8,11-14,18H,6-7,9-10,23H2,1H3,(H2,25,27,28,29).
What are the key properties of 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine?
2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine has a molecular weight of 415.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine is sourced from PubChem (CID 90390043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).