N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H23N7O3 — CID 137450160

IUPACN-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC[C@@]3(C)O)cnn12
InChIInChI=1S/C19H23N7O3/c1-19(28)7-6-13(19)24-17(27)11-10-22-26-15(20-2)9-14(25-16(11)26)23-12-5-4-8-21-18(12)29-3/h4-5,8-10,13,20,28H,6-7H2,1-3H3,(H,23,25)(H,24,27)/t13?,19-/m1/s1
InChIKeyOBWRMLYYNOXCQK-GAGCMDECSA-N
MW397.44 g/mol
LogP1.56
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450160) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450160
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC NameN-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC[C@@]3(C)O)cnn12
InChIInChI=1S/C19H23N7O3/c1-19(28)7-6-13(19)24-17(27)11-10-22-26-15(20-2)9-14(25-16(11)26)23-12-5-4-8-21-18(12)29-3/h4-5,8-10,13,20,28H,6-7H2,1-3H3,(H,23,25)(H,24,27)/t13?,19-/m1/s1
InChIKeyOBWRMLYYNOXCQK-GAGCMDECSA-N
XLogP1.56
TPSA125.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(1R,2R)-2-hydroxy-2-methylcyclobutyl]-1-[5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158610433
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449157
5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441488
N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383309
N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 147700653
CID 142523922
CID 142523922
N-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383465
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441543
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441508
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441403
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441489
N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560772

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450160) is N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3CC[C@@]3(C)O)cnn12.
What is the InChIKey of N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OBWRMLYYNOXCQK-GAGCMDECSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-19(28)7-6-13(19)24-17(27)11-10-22-26-15(20-2)9-14(25-16(11)26)23-12-5-4-8-21-18(12)29-3/h4-5,8-10,13,20,28H,6-7H2,1-3H3,(H,23,25)(H,24,27)/t13?,19-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).