N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide

C21H27N5O3 — CID 56941659

IUPACN,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N(C)C
InChIInChI=1S/C21H27N5O3/c1-13(2)26-12-14(11-17(26)21(27)25(3)4)19-18-16(23-24-19)5-8-22-20(18)29-15-6-9-28-10-7-15/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,23,24)
InChIKeyKATZVXKQECVLSC-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.27
Rot. Bonds5

About N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide

N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 56941659) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID56941659
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N(C)C
InChIInChI=1S/C21H27N5O3/c1-13(2)26-12-14(11-17(26)21(27)25(3)4)19-18-16(23-24-19)5-8-22-20(18)29-15-6-9-28-10-7-15/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,23,24)
InChIKeyKATZVXKQECVLSC-UHFFFAOYSA-N
XLogP3.27
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide (CID 56941659) is N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is KATZVXKQECVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-13(2)26-12-14(11-17(26)21(27)25(3)4)19-18-16(23-24-19)5-8-22-20(18)29-15-6-9-28-10-7-15/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,23,24).
What are the key properties of N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 56941659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).