4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine

C24H31N9O2S — CID 169002701

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine
SMILESCN(c1nccc(Nc2cc(C3CC3)[nH]n2)n1)C1CC2(C1)CN(S(=O)(=O)c1cn3c(n1)CCCC3)C2
InChIInChI=1S/C24H31N9O2S/c1-31(23-25-8-7-19(27-23)26-20-10-18(29-30-20)16-5-6-16)17-11-24(12-17)14-33(15-24)36(34,35)22-13-32-9-3-2-4-21(32)28-22/h7-8,10,13,16-17H,2-6,9,11-12,14-15H2,1H3,(H2,25,26,27,29,30)
InChIKeyQUFGHBLOIDWXJQ-UHFFFAOYSA-N
MW509.64 g/mol
LogP2.64
Rot. Bonds7

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine (PubChem CID 169002701) has the molecular formula C24H31N9O2S and a molecular weight of 509.64 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine
PubChem CID169002701
Molecular FormulaC24H31N9O2S
Molecular Weight509.64 g/mol
Exact Mass509.23
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine
SMILESCN(c1nccc(Nc2cc(C3CC3)[nH]n2)n1)C1CC2(C1)CN(S(=O)(=O)c1cn3c(n1)CCCC3)C2
InChIInChI=1S/C24H31N9O2S/c1-31(23-25-8-7-19(27-23)26-20-10-18(29-30-20)16-5-6-16)17-11-24(12-17)14-33(15-24)36(34,35)22-13-32-9-3-2-4-21(32)28-22/h7-8,10,13,16-17H,2-6,9,11-12,14-15H2,1H3,(H2,25,26,27,29,30)
InChIKeyQUFGHBLOIDWXJQ-UHFFFAOYSA-N
XLogP2.64
TPSA124.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.64
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrimidine-2,4-diamine
CID 163665524
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-(4-ethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 163497605
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-[2-(2-methoxyethoxy)ethyl]piperidin-4-yl]-2-N-methylpyrimidine-2,4-diamine
CID 163422109
2-[(3S)-3-methylpiperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 100627977
2-(3-methylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120875195
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 166205545
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 169170094
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
2-chloro-N-(5-spiro[2.3]hexan-5-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;ethane
CID 154687300
N-(5-cyano-2,3-dihydro-1H-inden-2-yl)-2-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-methylamino]cyclohexyl]acetamide
CID 169002632
2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876597
(E)-3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]prop-2-ene-1-sulfonamide
CID 58169227

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine (CID 169002701) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine is CN(c1nccc(Nc2cc(C3CC3)[nH]n2)n1)C1CC2(C1)CN(S(=O)(=O)c1cn3c(n1)CCCC3)C2.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine?
The InChIKey is QUFGHBLOIDWXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O2S/c1-31(23-25-8-7-19(27-23)26-20-10-18(29-30-20)16-5-6-16)17-11-24(12-17)14-33(15-24)36(34,35)22-13-32-9-3-2-4-21(32)28-22/h7-8,10,13,16-17H,2-6,9,11-12,14-15H2,1H3,(H2,25,26,27,29,30).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine has a molecular weight of 509.64 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-methyl-2-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 169002701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).