(4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide

C17H27N5O — CID 164633656

IUPAC(4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CC[C@]2(C1)c1nc[nH]c1CCN2CC1CC1
InChIInChI=1S/C17H27N5O/c1-12(2)20-16(23)21-8-6-17(10-21)15-14(18-11-19-15)5-7-22(17)9-13-3-4-13/h11-13H,3-10H2,1-2H3,(H,18,19)(H,20,23)/t17-/m0/s1
InChIKeyVBZRWDULQJXULJ-KRWDZBQOSA-N
MW317.44 g/mol
LogP1.70
Rot. Bonds3

About (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide

(4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164633656) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID164633656
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name(4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)NC(=O)N1CC[C@]2(C1)c1nc[nH]c1CCN2CC1CC1
InChIInChI=1S/C17H27N5O/c1-12(2)20-16(23)21-8-6-17(10-21)15-14(18-11-19-15)5-7-22(17)9-13-3-4-13/h11-13H,3-10H2,1-2H3,(H,18,19)(H,20,23)/t17-/m0/s1
InChIKeyVBZRWDULQJXULJ-KRWDZBQOSA-N
XLogP1.70
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide (CID 164633656) is (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide is CC(C)NC(=O)N1CC[C@]2(C1)c1nc[nH]c1CCN2CC1CC1.
What is the InChIKey of (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is VBZRWDULQJXULJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12(2)20-16(23)21-8-6-17(10-21)15-14(18-11-19-15)5-7-22(17)9-13-3-4-13/h11-13H,3-10H2,1-2H3,(H,18,19)(H,20,23)/t17-/m0/s1.
What are the key properties of (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide?
(4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(cyclopropylmethyl)-N-propan-2-ylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164633656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).