N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N7O3 — CID 146560354

IUPACN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccc[nH]c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C18H21N7O3/c1-19-15-8-14(22-12-4-3-7-20-18(12)27)24-16-10(9-21-25(15)16)17(26)23-11-5-6-13(11)28-2/h3-4,7-9,11,13,19H,5-6H2,1-2H3,(H,20,27)(H,22,24)(H,23,26)/t11-,13-/m0/s1
InChIKeyFXYHZQBSHAVTAR-AAEUAGOBSA-N
MW383.41 g/mol
LogP1.11
Rot. Bonds6

About N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560354) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560354
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC NameN-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccc[nH]c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C18H21N7O3/c1-19-15-8-14(22-12-4-3-7-20-18(12)27)24-16-10(9-21-25(15)16)17(26)23-11-5-6-13(11)28-2/h3-4,7-9,11,13,19H,5-6H2,1-2H3,(H,20,27)(H,22,24)(H,23,26)/t11-,13-/m0/s1
InChIKeyFXYHZQBSHAVTAR-AAEUAGOBSA-N
XLogP1.11
TPSA125.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560355
N-[(2R)-2-methoxycyclobutyl]-5-[[1-[(1S,2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449835
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383473
5-[[1-[(1S,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449245
5-[[1-[(1S,2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450000
N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-([1,2,4]triazolo[4,3-a]pyridin-8-ylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383408
N-[(1S,2S)-2-hydroxycyclobutyl]-5-[[1-[(2R)-2-methoxycyclobutyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559137
5-[[1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449801
N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559156
methoxycyclobutane;7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;3-oxabicyclo[3.1.0]hexane
CID 142523738
N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(1R,2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449388
7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-[(1S,2S)-2-(trideuteriomethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153294281

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560354) is N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2ccc[nH]c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FXYHZQBSHAVTAR-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-19-15-8-14(22-12-4-3-7-20-18(12)27)24-16-10(9-21-25(15)16)17(26)23-11-5-6-13(11)28-2/h3-4,7-9,11,13,19H,5-6H2,1-2H3,(H,20,27)(H,22,24)(H,23,26)/t11-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).