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

C18H17FN8O — CID 137450163

IUPACN-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn3ccnc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C18H17FN8O/c1-20-15-8-14(23-12-3-2-5-26-6-4-21-17(12)26)25-16-10(9-22-27(15)16)18(28)24-13-7-11(13)19/h2-6,8-9,11,13,20H,7H2,1H3,(H,23,25)(H,24,28)/t11-,13+/m0/s1
InChIKeyNDTBSVJSVKKBHP-WCQYABFASA-N
MW380.39 g/mol
LogP2.00
Rot. Bonds5

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

N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450163) has the molecular formula C18H17FN8O and a molecular weight of 380.39 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450163
Molecular FormulaC18H17FN8O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn3ccnc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
InChIInChI=1S/C18H17FN8O/c1-20-15-8-14(23-12-3-2-5-26-6-4-21-17(12)26)25-16-10(9-22-27(15)16)18(28)24-13-7-11(13)19/h2-6,8-9,11,13,20H,7H2,1H3,(H,23,25)(H,24,28)/t11-,13+/m0/s1
InChIKeyNDTBSVJSVKKBHP-WCQYABFASA-N
XLogP2.00
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450163) is N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn3ccnc23)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NDTBSVJSVKKBHP-WCQYABFASA-N. The full InChI is InChI=1S/C18H17FN8O/c1-20-15-8-14(23-12-3-2-5-26-6-4-21-17(12)26)25-16-10(9-22-27(15)16)18(28)24-13-7-11(13)19/h2-6,8-9,11,13,20H,7H2,1H3,(H,23,25)(H,24,28)/t11-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-fluorocyclopropyl]-5-(imidazo[1,2-a]pyridin-8-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).