N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24N8O2 — CID 146569662

IUPACN-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1ccc(-c2cc(NC)n3ncc(C(=O)NC4CC[C@@H]4OC)c3n2)n2ccnc12
InChIInChI=1S/C21H24N8O2/c1-22-14-4-6-16(28-9-8-24-20(14)28)15-10-18(23-2)29-19(26-15)12(11-25-29)21(30)27-13-5-7-17(13)31-3/h4,6,8-11,13,17,22-23H,5,7H2,1-3H3,(H,27,30)/t13?,17-/m0/s1
InChIKeyADDCOWJHSHCQCP-RUINGEJQSA-N
MW420.48 g/mol
LogP2.03
Rot. Bonds6

About N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146569662) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146569662
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1ccc(-c2cc(NC)n3ncc(C(=O)NC4CC[C@@H]4OC)c3n2)n2ccnc12
InChIInChI=1S/C21H24N8O2/c1-22-14-4-6-16(28-9-8-24-20(14)28)15-10-18(23-2)29-19(26-15)12(11-25-29)21(30)27-13-5-7-17(13)31-3/h4,6,8-11,13,17,22-23H,5,7H2,1-3H3,(H,27,30)/t13?,17-/m0/s1
InChIKeyADDCOWJHSHCQCP-RUINGEJQSA-N
XLogP2.03
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146569662) is N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1ccc(-c2cc(NC)n3ncc(C(=O)NC4CC[C@@H]4OC)c3n2)n2ccnc12.
What is the InChIKey of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ADDCOWJHSHCQCP-RUINGEJQSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-22-14-4-6-16(28-9-8-24-20(14)28)15-10-18(23-2)29-19(26-15)12(11-25-29)21(30)27-13-5-7-17(13)31-3/h4,6,8-11,13,17,22-23H,5,7H2,1-3H3,(H,27,30)/t13?,17-/m0/s1.
What are the key properties of N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[8-(methylamino)imidazo[1,2-a]pyridin-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146569662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).