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

C18H21N7O3 — CID 137449157

IUPACN-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C18H21N7O3/c1-19-15-8-14(22-12-4-3-7-20-18(12)28-2)24-16-10(9-21-25(15)16)17(27)23-11-5-6-13(11)26/h3-4,7-9,11,13,19,26H,5-6H2,1-2H3,(H,22,24)(H,23,27)/t11-,13-/m0/s1
InChIKeyJMCCUCOAJOQQTR-AAEUAGOBSA-N
MW383.41 g/mol
LogP1.17
Rot. Bonds6

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

N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449157) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449157
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC NameN-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C18H21N7O3/c1-19-15-8-14(22-12-4-3-7-20-18(12)28-2)24-16-10(9-21-25(15)16)17(27)23-11-5-6-13(11)26/h3-4,7-9,11,13,19,26H,5-6H2,1-2H3,(H,22,24)(H,23,27)/t11-,13-/m0/s1
InChIKeyJMCCUCOAJOQQTR-AAEUAGOBSA-N
XLogP1.17
TPSA125.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441543
N-[(1S,3S)-3-hydroxycyclopentyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383309
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(2-hydroxycyclopentyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441489
N-[(2R)-2-hydroxy-2-methylcyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450160
5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-spiro[3.3]heptan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441488
N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 147700653
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441403
5-(1,3-benzoxazol-4-ylamino)-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441506
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3-hydroxy-2-methylpropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2S)-2-hydroxycyclopropyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162171136
5-[(2-cyclohexyloxy-3-pyridinyl)amino]-N-(2-fluorocyclopropyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523385
5-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-N-(2-hydroxycyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142524002
CID 142523922
CID 142523922

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449157) is N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC)nc2c(C(=O)N[C@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JMCCUCOAJOQQTR-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-19-15-8-14(22-12-4-3-7-20-18(12)28-2)24-16-10(9-21-25(15)16)17(27)23-11-5-6-13(11)26/h3-4,7-9,11,13,19,26H,5-6H2,1-2H3,(H,22,24)(H,23,27)/t11-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclobutyl]-5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).