piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone

C22H29N5O2 — CID 56941507

IUPACpiperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
SMILESCC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCCC4)n(C(C)C)c3)c12
InChIInChI=1S/C22H29N5O2/c1-14(2)27-13-16(12-18(27)22(28)26-10-6-5-7-11-26)20-19-17(24-25-20)8-9-23-21(19)29-15(3)4/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,24,25)
InChIKeyRVSIJMWEOSAEIN-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.42
Rot. Bonds5

About piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone

piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone (PubChem CID 56941507) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
PubChem CID56941507
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Namepiperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone
SMILESCC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCCC4)n(C(C)C)c3)c12
InChIInChI=1S/C22H29N5O2/c1-14(2)27-13-16(12-18(27)22(28)26-10-6-5-7-11-26)20-19-17(24-25-20)8-9-23-21(19)29-15(3)4/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,24,25)
InChIKeyRVSIJMWEOSAEIN-UHFFFAOYSA-N
XLogP4.42
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone (CID 56941507) is piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone is CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCCC4)n(C(C)C)c3)c12.
What is the InChIKey of piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone?
The InChIKey is RVSIJMWEOSAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14(2)27-13-16(12-18(27)22(28)26-10-6-5-7-11-26)20-19-17(24-25-20)8-9-23-21(19)29-15(3)4/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,24,25).
What are the key properties of piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone?
piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrol-2-yl]methanone is sourced from PubChem (CID 56941507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).