N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H33N7O4 — CID 137450072

IUPACN-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C25H33N7O4/c1-26-22-13-21(28-19-8-5-11-31(25(19)34)15-6-4-7-16(12-15)35-2)30-23-17(14-27-32(22)23)24(33)29-18-9-10-20(18)36-3/h5,8,11,13-16,18,20,26H,4,6-7,9-10,12H2,1-3H3,(H,28,30)(H,29,33)/t15-,16-,18+,20+/m1/s1
InChIKeyNACCDVWEZZCWJA-HBXLWWENSA-N
MW495.58 g/mol
LogP2.71
Rot. Bonds8

About N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450072) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450072
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC NameN-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn([C@@H]3CCC[C@@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C25H33N7O4/c1-26-22-13-21(28-19-8-5-11-31(25(19)34)15-6-4-7-16(12-15)35-2)30-23-17(14-27-32(22)23)24(33)29-18-9-10-20(18)36-3/h5,8,11,13-16,18,20,26H,4,6-7,9-10,12H2,1-3H3,(H,28,30)(H,29,33)/t15-,16-,18+,20+/m1/s1
InChIKeyNACCDVWEZZCWJA-HBXLWWENSA-N
XLogP2.71
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450072) is N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@@H]3CCC[C@@H](OC)C3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NACCDVWEZZCWJA-HBXLWWENSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-26-22-13-21(28-19-8-5-11-31(25(19)34)15-6-4-7-16(12-15)35-2)30-23-17(14-27-32(22)23)24(33)29-18-9-10-20(18)36-3/h5,8,11,13-16,18,20,26H,4,6-7,9-10,12H2,1-3H3,(H,28,30)(H,29,33)/t15-,16-,18+,20+/m1/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-[(1R,3R)-3-methoxycyclohexyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).