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

C22H27N5O4 — CID 56941798

IUPAC4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)NC1COC1
InChIInChI=1S/C22H27N5O4/c1-13(2)27-10-14(9-18(27)21(28)24-15-11-30-12-15)20-19-17(25-26-20)3-6-23-22(19)31-16-4-7-29-8-5-16/h3,6,9-10,13,15-16H,4-5,7-8,11-12H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyMGPJUSBOJZVCPN-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.69
Rot. Bonds6

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

4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 56941798) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID56941798
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)NC1COC1
InChIInChI=1S/C22H27N5O4/c1-13(2)27-10-14(9-18(27)21(28)24-15-11-30-12-15)20-19-17(25-26-20)3-6-23-22(19)31-16-4-7-29-8-5-16/h3,6,9-10,13,15-16H,4-5,7-8,11-12H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyMGPJUSBOJZVCPN-UHFFFAOYSA-N
XLogP2.69
TPSA103.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 56941798) is 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)NC1COC1.
What is the InChIKey of 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is MGPJUSBOJZVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-13(2)27-10-14(9-18(27)21(28)24-15-11-30-12-15)20-19-17(25-26-20)3-6-23-22(19)31-16-4-7-29-8-5-16/h3,6,9-10,13,15-16H,4-5,7-8,11-12H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-N-(oxetan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 56941798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).