N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H27N7O3 — CID 129297787

IUPACN-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@]1(O)COc2cc(N3CCC(n4ccnc4)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1
InChIInChI=1S/C25H27N7O3/c1-25(34)13-17-11-20(29-24(33)19-14-28-32-7-2-5-27-23(19)32)21(12-22(17)35-15-25)30-8-3-18(4-9-30)31-10-6-26-16-31/h2,5-7,10-12,14,16,18,34H,3-4,8-9,13,15H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyJFYNDZXNLVPLAW-RUZDIDTESA-N
MW473.54 g/mol
LogP2.71
Rot. Bonds4

About N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129297787) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129297787
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@]1(O)COc2cc(N3CCC(n4ccnc4)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1
InChIInChI=1S/C25H27N7O3/c1-25(34)13-17-11-20(29-24(33)19-14-28-32-7-2-5-27-23(19)32)21(12-22(17)35-15-25)30-8-3-18(4-9-30)31-10-6-26-16-31/h2,5-7,10-12,14,16,18,34H,3-4,8-9,13,15H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyJFYNDZXNLVPLAW-RUZDIDTESA-N
XLogP2.71
TPSA109.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354501
N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152925341
N-[(2S)-6-[(4R)-4-hydroxyazepan-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297064
N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159283697
N-[2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298333
N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354418
N-[(3R)-3-(1-cyanoethyl)-3-methyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146483089
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
N-[6-(4-acetyl-1,4-diazepan-1-yl)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298193
N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284270
N-[2-(iodomethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167375705

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129297787) is N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@]1(O)COc2cc(N3CCC(n4ccnc4)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1.
What is the InChIKey of N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JFYNDZXNLVPLAW-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27N7O3/c1-25(34)13-17-11-20(29-24(33)19-14-28-32-7-2-5-27-23(19)32)21(12-22(17)35-15-25)30-8-3-18(4-9-30)31-10-6-26-16-31/h2,5-7,10-12,14,16,18,34H,3-4,8-9,13,15H2,1H3,(H,29,33)/t25-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129297787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).