N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

C21H24F2N6O — CID 170641070

IUPACN-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(NCC2CC2)nc(C(C)(F)F)n1
InChIInChI=1S/C21H24F2N6O/c1-12(30)26-16-7-15-14(10-25-16)21(5-6-21)11-29(15)18-8-17(24-9-13-3-4-13)27-19(28-18)20(2,22)23/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,24,27,28)(H,25,26,30)
InChIKeyGGLJBWVHMPKNQG-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.95
Rot. Bonds6

About N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (PubChem CID 170641070) has the molecular formula C21H24F2N6O and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
PubChem CID170641070
Molecular FormulaC21H24F2N6O
Molecular Weight414.46 g/mol
Exact Mass414.20
IUPAC NameN-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(NCC2CC2)nc(C(C)(F)F)n1
InChIInChI=1S/C21H24F2N6O/c1-12(30)26-16-7-15-14(10-25-16)21(5-6-21)11-29(15)18-8-17(24-9-13-3-4-13)27-19(28-18)20(2,22)23/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,24,27,28)(H,25,26,30)
InChIKeyGGLJBWVHMPKNQG-UHFFFAOYSA-N
XLogP3.95
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The IUPAC name of N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (CID 170641070) is N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The canonical SMILES for N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(NCC2CC2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The InChIKey is GGLJBWVHMPKNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O/c1-12(30)26-16-7-15-14(10-25-16)21(5-6-21)11-29(15)18-8-17(24-9-13-3-4-13)27-19(28-18)20(2,22)23/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,24,27,28)(H,25,26,30).
What are the key properties of N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide has a molecular weight of 414.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is sourced from PubChem (CID 170641070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).