1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide

C22H21N7O3 — CID 175760883

IUPAC1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCn1cc2c(n1)-c1cccc(Nc3cc(C4(C(N)=O)CC4)nc4[nH]n(C)c(=O)c34)c1OC2
InChIInChI=1S/C22H21N7O3/c1-28-9-11-10-32-18-12(17(11)26-28)4-3-5-13(18)24-14-8-15(22(6-7-22)21(23)31)25-19-16(14)20(30)29(2)27-19/h3-5,8-9H,6-7,10H2,1-2H3,(H2,23,31)(H2,24,25,27)
InChIKeyZTKDAQXTZIONQQ-UHFFFAOYSA-N
MW431.46 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide

1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 175760883) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
PubChem CID175760883
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCn1cc2c(n1)-c1cccc(Nc3cc(C4(C(N)=O)CC4)nc4[nH]n(C)c(=O)c34)c1OC2
InChIInChI=1S/C22H21N7O3/c1-28-9-11-10-32-18-12(17(11)26-28)4-3-5-13(18)24-14-8-15(22(6-7-22)21(23)31)25-19-16(14)20(30)29(2)27-19/h3-5,8-9H,6-7,10H2,1-2H3,(H2,23,31)(H2,24,25,27)
InChIKeyZTKDAQXTZIONQQ-UHFFFAOYSA-N
XLogP1.82
TPSA132.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide (CID 175760883) is 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide is Cn1cc2c(n1)-c1cccc(Nc3cc(C4(C(N)=O)CC4)nc4[nH]n(C)c(=O)c34)c1OC2.
What is the InChIKey of 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is ZTKDAQXTZIONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-28-9-11-10-32-18-12(17(11)26-28)4-3-5-13(18)24-14-8-15(22(6-7-22)21(23)31)25-19-16(14)20(30)29(2)27-19/h3-5,8-9H,6-7,10H2,1-2H3,(H2,23,31)(H2,24,25,27).
What are the key properties of 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide?
1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175760883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).