N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide

C23H25N5O2 — CID 177051539

IUPACN-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide
SMILESCC(C)Oc1cc(C(=O)NC2CCn3nc(-c4ccnc(C5CC5)c4)cc32)ccn1
InChIInChI=1S/C23H25N5O2/c1-14(2)30-22-12-17(6-9-25-22)23(29)26-18-7-10-28-21(18)13-20(27-28)16-5-8-24-19(11-16)15-3-4-15/h5-6,8-9,11-15,18H,3-4,7,10H2,1-2H3,(H,26,29)
InChIKeyRYTDVUQSHLOUPP-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.88
Rot. Bonds6

About N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide

N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide (PubChem CID 177051539) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide
PubChem CID177051539
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide
SMILESCC(C)Oc1cc(C(=O)NC2CCn3nc(-c4ccnc(C5CC5)c4)cc32)ccn1
InChIInChI=1S/C23H25N5O2/c1-14(2)30-22-12-17(6-9-25-22)23(29)26-18-7-10-28-21(18)13-20(27-28)16-5-8-24-19(11-16)15-3-4-15/h5-6,8-9,11-15,18H,3-4,7,10H2,1-2H3,(H,26,29)
InChIKeyRYTDVUQSHLOUPP-UHFFFAOYSA-N
XLogP3.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide (CID 177051539) is N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide is CC(C)Oc1cc(C(=O)NC2CCn3nc(-c4ccnc(C5CC5)c4)cc32)ccn1.
What is the InChIKey of N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide?
The InChIKey is RYTDVUQSHLOUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14(2)30-22-12-17(6-9-25-22)23(29)26-18-7-10-28-21(18)13-20(27-28)16-5-8-24-19(11-16)15-3-4-15/h5-6,8-9,11-15,18H,3-4,7,10H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide?
N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-2-propan-2-yloxypyridine-4-carboxamide is sourced from PubChem (CID 177051539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).