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

C20H22N8O2 — CID 137449230

IUPAC5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn3ccnc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C20H22N8O2/c1-21-17-10-16(24-14-4-3-8-27-9-7-22-19(14)27)26-18-12(11-23-28(17)18)20(29)25-13-5-6-15(13)30-2/h3-4,7-11,13,15,21H,5-6H2,1-2H3,(H,24,26)(H,25,29)/t13-,15-/m0/s1
InChIKeyCSEWBIWYNXNQQM-ZFWWWQNUSA-N
MW406.45 g/mol
LogP2.07
Rot. Bonds6

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

5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449230) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449230
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn3ccnc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C20H22N8O2/c1-21-17-10-16(24-14-4-3-8-27-9-7-22-19(14)27)26-18-12(11-23-28(17)18)20(29)25-13-5-6-15(13)30-2/h3-4,7-11,13,15,21H,5-6H2,1-2H3,(H,24,26)(H,25,29)/t13-,15-/m0/s1
InChIKeyCSEWBIWYNXNQQM-ZFWWWQNUSA-N
XLogP2.07
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

CID 137441492
CID 137441492
CID 90199447
CID 90199447
CID 51034710
CID 51034710
CID 57377956
CID 57377956
CID 57378392
CID 57378392
CID 71537870
CID 71537870
CID 71538147
CID 71538147
CID 71538688
CID 71538688
CID 138376590
CID 138376590
CID 134551574
CID 134551574
CID 137441478
CID 137441478
CID 137441496
CID 137441496

Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449230) is 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn3ccnc23)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CSEWBIWYNXNQQM-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-21-17-10-16(24-14-4-3-8-27-9-7-22-19(14)27)26-18-12(11-23-28(17)18)20(29)25-13-5-6-15(13)30-2/h3-4,7-11,13,15,21H,5-6H2,1-2H3,(H,24,26)(H,25,29)/t13-,15-/m0/s1.
What are the key properties of 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[1,2-a]pyridin-8-ylamino)-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).