N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N7O3 — CID 137449546

IUPACN-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc([C@H]3CCCCO3)n2)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C22H27N7O3/c1-23-20-11-19(27-18-7-4-5-15(25-18)17-6-2-3-10-32-17)28-21-13(12-24-29(20)21)22(31)26-14-8-9-16(14)30/h4-5,7,11-12,14,16-17,23,30H,2-3,6,8-10H2,1H3,(H,26,31)(H,25,27,28)/t14-,16+,17+/m0/s1
InChIKeyOZTNPCKXZODHJC-USXIJHARSA-N
MW437.50 g/mol
LogP2.40
Rot. Bonds6

About N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449546) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449546
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC NameN-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc([C@H]3CCCCO3)n2)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12
InChIInChI=1S/C22H27N7O3/c1-23-20-11-19(27-18-7-4-5-15(25-18)17-6-2-3-10-32-17)28-21-13(12-24-29(20)21)22(31)26-14-8-9-16(14)30/h4-5,7,11-12,14,16-17,23,30H,2-3,6,8-10H2,1H3,(H,26,31)(H,25,27,28)/t14-,16+,17+/m0/s1
InChIKeyOZTNPCKXZODHJC-USXIJHARSA-N
XLogP2.40
TPSA125.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449546) is N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc([C@H]3CCCCO3)n2)nc2c(C(=O)N[C@H]3CC[C@H]3O)cnn12.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OZTNPCKXZODHJC-USXIJHARSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-23-20-11-19(27-18-7-4-5-15(25-18)17-6-2-3-10-32-17)28-21-13(12-24-29(20)21)22(31)26-14-8-9-16(14)30/h4-5,7,11-12,14,16-17,23,30H,2-3,6,8-10H2,1H3,(H,26,31)(H,25,27,28)/t14-,16+,17+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).