(2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide

C24H31N7O2 — CID 171431458

IUPAC(2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide
SMILESCCN(C(=O)[C@@H](C)N1CCOCC1)c1cnc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2c1
InChIInChI=1S/C24H31N7O2/c1-4-31(23(32)14(2)30-5-7-33-8-6-30)16-10-18-21(25-13-16)27-22(26-18)20-17-9-15-11-24(15,3)12-19(17)28-29-20/h10,13-15H,4-9,11-12H2,1-3H3,(H,28,29)(H,25,26,27)/t14-,15-,24-/m1/s1
InChIKeyQXSFUXUMOPFCFL-KAEOHJDDSA-N
MW449.56 g/mol
LogP2.55
Rot. Bonds5

About (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide

(2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide (PubChem CID 171431458) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide
PubChem CID171431458
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name(2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide
SMILESCCN(C(=O)[C@@H](C)N1CCOCC1)c1cnc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2c1
InChIInChI=1S/C24H31N7O2/c1-4-31(23(32)14(2)30-5-7-33-8-6-30)16-10-18-21(25-13-16)27-22(26-18)20-17-9-15-11-24(15,3)12-19(17)28-29-20/h10,13-15H,4-9,11-12H2,1-3H3,(H,28,29)(H,25,26,27)/t14-,15-,24-/m1/s1
InChIKeyQXSFUXUMOPFCFL-KAEOHJDDSA-N
XLogP2.55
TPSA103.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide (CID 171431458) is (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide is CCN(C(=O)[C@@H](C)N1CCOCC1)c1cnc2nc(-c3n[nH]c4c3C[C@@H]3C[C@]3(C)C4)[nH]c2c1.
What is the InChIKey of (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide?
The InChIKey is QXSFUXUMOPFCFL-KAEOHJDDSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-4-31(23(32)14(2)30-5-7-33-8-6-30)16-10-18-21(25-13-16)27-22(26-18)20-17-9-15-11-24(15,3)12-19(17)28-29-20/h10,13-15H,4-9,11-12H2,1-3H3,(H,28,29)(H,25,26,27)/t14-,15-,24-/m1/s1.
What are the key properties of (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide?
(2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide has a molecular weight of 449.56 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(4aS,5aR)-5a-methyl-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazol-3-yl]-1H-imidazo[4,5-b]pyridin-6-yl]-N-ethyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 171431458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).