1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one

C34H35FN8O2 — CID 156829082

IUPAC1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
SMILESCc1c(-c2cc3ccc(-c4ccc(N5CCNC5=O)cc4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
InChIInChI=1S/C34H35FN8O2/c1-20-30(39-43-18-24(15-27(35)31(20)43)33(44)40-13-2-3-25(36)19-40)29-16-23-8-11-28(38-32(23)42(29)17-21-4-5-21)22-6-9-26(10-7-22)41-14-12-37-34(41)45/h6-11,15-16,18,21,25H,2-5,12-14,17,19,36H2,1H3,(H,37,45)/t25-/m1/s1
InChIKeyKZKCEUKYTVURJF-RUZDIDTESA-N
MW606.71 g/mol
LogP4.97
Rot. Bonds6

About 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one

1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one (PubChem CID 156829082) has the molecular formula C34H35FN8O2 and a molecular weight of 606.71 g/mol. Its IUPAC name is 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
PubChem CID156829082
Molecular FormulaC34H35FN8O2
Molecular Weight606.71 g/mol
Exact Mass606.29
IUPAC Name1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one
SMILESCc1c(-c2cc3ccc(-c4ccc(N5CCNC5=O)cc4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
InChIInChI=1S/C34H35FN8O2/c1-20-30(39-43-18-24(15-27(35)31(20)43)33(44)40-13-2-3-25(36)19-40)29-16-23-8-11-28(38-32(23)42(29)17-21-4-5-21)22-6-9-26(10-7-22)41-14-12-37-34(41)45/h6-11,15-16,18,21,25H,2-5,12-14,17,19,36H2,1H3,(H,37,45)/t25-/m1/s1
InChIKeyKZKCEUKYTVURJF-RUZDIDTESA-N
XLogP4.97
TPSA113.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.71
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one (CID 156829082) is 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one is Cc1c(-c2cc3ccc(-c4ccc(N5CCNC5=O)cc4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12.
What is the InChIKey of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?
The InChIKey is KZKCEUKYTVURJF-RUZDIDTESA-N. The full InChI is InChI=1S/C34H35FN8O2/c1-20-30(39-43-18-24(15-27(35)31(20)43)33(44)40-13-2-3-25(36)19-40)29-16-23-8-11-28(38-32(23)42(29)17-21-4-5-21)22-6-9-26(10-7-22)41-14-12-37-34(41)45/h6-11,15-16,18,21,25H,2-5,12-14,17,19,36H2,1H3,(H,37,45)/t25-/m1/s1.
What are the key properties of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one?
1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one has a molecular weight of 606.71 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 156829082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).