N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide

C18H20FN7O — CID 166508014

IUPACN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
SMILESCN[C@@H]1CCN(c2ncc(C(=O)Nc3cc(F)c4nc(C)cn4c3)cn2)C1
InChIInChI=1S/C18H20FN7O/c1-11-8-26-10-14(5-15(19)16(26)23-11)24-17(27)12-6-21-18(22-7-12)25-4-3-13(9-25)20-2/h5-8,10,13,20H,3-4,9H2,1-2H3,(H,24,27)/t13-/m1/s1
InChIKeyFCNMZJBIQFCJBO-CYBMUJFWSA-N
MW369.40 g/mol
LogP1.62
Rot. Bonds4

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 166508014) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
PubChem CID166508014
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC NameN-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
SMILESCN[C@@H]1CCN(c2ncc(C(=O)Nc3cc(F)c4nc(C)cn4c3)cn2)C1
InChIInChI=1S/C18H20FN7O/c1-11-8-26-10-14(5-15(19)16(26)23-11)24-17(27)12-6-21-18(22-7-12)25-4-3-13(9-25)20-2/h5-8,10,13,20H,3-4,9H2,1-2H3,(H,24,27)/t13-/m1/s1
InChIKeyFCNMZJBIQFCJBO-CYBMUJFWSA-N
XLogP1.62
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide (CID 166508014) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide is CN[C@@H]1CCN(c2ncc(C(=O)Nc3cc(F)c4nc(C)cn4c3)cn2)C1.
What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is FCNMZJBIQFCJBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-11-8-26-10-14(5-15(19)16(26)23-11)24-17(27)12-6-21-18(22-7-12)25-4-3-13(9-25)20-2/h5-8,10,13,20H,3-4,9H2,1-2H3,(H,24,27)/t13-/m1/s1.
What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide?
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 166508014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).