N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

C22H26N6O2 — CID 10431462

IUPACN-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(N[C@@H]2CCCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C22H26N6O2/c29-13-16-4-1-2-6-18(16)25-19-10-20(27-22(30)15-5-3-9-23-11-15)28-21(26-19)17(12-24-28)14-7-8-14/h3,5,9-12,14,16,18,29H,1-2,4,6-8,13H2,(H,25,26)(H,27,30)/t16-,18+/m0/s1
InChIKeyRLRTVPYHJQNTKP-FUHWJXTLSA-N
MW406.49 g/mol
LogP3.22
Rot. Bonds6

About N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide

N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (PubChem CID 10431462) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
PubChem CID10431462
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(N[C@@H]2CCCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C22H26N6O2/c29-13-16-4-1-2-6-18(16)25-19-10-20(27-22(30)15-5-3-9-23-11-15)28-21(26-19)17(12-24-28)14-7-8-14/h3,5,9-12,14,16,18,29H,1-2,4,6-8,13H2,(H,25,26)(H,27,30)/t16-,18+/m0/s1
InChIKeyRLRTVPYHJQNTKP-FUHWJXTLSA-N
XLogP3.22
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide (CID 10431462) is N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is O=C(Nc1cc(N[C@@H]2CCCC[C@H]2CO)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
The InChIKey is RLRTVPYHJQNTKP-FUHWJXTLSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-13-16-4-1-2-6-18(16)25-19-10-20(27-22(30)15-5-3-9-23-11-15)28-21(26-19)17(12-24-28)14-7-8-14/h3,5,9-12,14,16,18,29H,1-2,4,6-8,13H2,(H,25,26)(H,27,30)/t16-,18+/m0/s1.
What are the key properties of N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide?
N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10431462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).