cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

C16H15N5O — CID 124742862

IUPACcis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCn1ncc2c(NC(=O)[C@H]3C[C@H]3c3cccnc3)ccnc21
InChIInChI=1S/C16H15N5O/c1-21-15-13(9-19-21)14(4-6-18-15)20-16(22)12-7-11(12)10-3-2-5-17-8-10/h2-6,8-9,11-12H,7H2,1H3,(H,18,20,22)/t11-,12-/m0/s1
InChIKeyUDHQBWYMWQRWPT-RYUDHWBXSA-N
MW293.33 g/mol
LogP2.11
Rot. Bonds3

About cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 124742862) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID124742862
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Namecis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCn1ncc2c(NC(=O)[C@H]3C[C@H]3c3cccnc3)ccnc21
InChIInChI=1S/C16H15N5O/c1-21-15-13(9-19-21)14(4-6-18-15)20-16(22)12-7-11(12)10-3-2-5-17-8-10/h2-6,8-9,11-12H,7H2,1H3,(H,18,20,22)/t11-,12-/m0/s1
InChIKeyUDHQBWYMWQRWPT-RYUDHWBXSA-N
XLogP2.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 124742862) is cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is Cn1ncc2c(NC(=O)[C@H]3C[C@H]3c3cccnc3)ccnc21.
What is the InChIKey of cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is UDHQBWYMWQRWPT-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-15-13(9-19-21)14(4-6-18-15)20-16(22)12-7-11(12)10-3-2-5-17-8-10/h2-6,8-9,11-12H,7H2,1H3,(H,18,20,22)/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 124742862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).